Aglycone
AD12828
Formula: C19H15ON2ClS
Smiles:
CC1(C)CC(=O)c2c([nH]c(=S)c(C#N)c2-c2ccc(Cl)cc2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 342.85 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |